Detailed information for compound 109983

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 233.306 | Formula: C14H19NO2
  • H donors: 0 H acceptors: 0 LogP: 2.19 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc2c3c1C[C@@H](C[C@@H]3CO2)N(C)C
  • InChi: 1S/C14H19NO2/c1-15(2)10-6-9-8-17-13-5-4-12(16-3)11(7-10)14(9)13/h4-5,9-10H,6-8H2,1-3H3/t9-,10-/m1/s1
  • InChiKey: NRQKPYBPFDFAAT-NXEZZACHSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Serotonin 2a (5-HT2a) receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma japonicum ko:K04136 adrenergic receptor, alpha 1b, putative Serotonin 2a (5-HT2a) receptor   471 aa 422 aa 27.5 %
Echinococcus granulosus g protein coupled receptor Serotonin 2a (5-HT2a) receptor   471 aa 408 aa 21.8 %
Onchocerca volvulus Ubiquinol-cytochrome-c reductase complex assembly factor 1 homolog Serotonin 2a (5-HT2a) receptor   471 aa 435 aa 23.0 %
Echinococcus granulosus g protein coupled receptor Serotonin 2a (5-HT2a) receptor   471 aa 416 aa 19.2 %
Schistosoma japonicum ko:K04209 neuropeptide Y receptor, invertebrate, putative Serotonin 2a (5-HT2a) receptor   471 aa 405 aa 25.4 %
Echinococcus multilocularis g protein coupled receptor Serotonin 2a (5-HT2a) receptor   471 aa 417 aa 20.6 %
Echinococcus multilocularis g protein coupled receptor Serotonin 2a (5-HT2a) receptor   471 aa 462 aa 21.2 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Trypanosoma brucei aurora B kinase 0.0114 0.2249 0.2249
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0099 0.1807 0.1807
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0099 0.1807 0.1807
Trypanosoma brucei Protein arginine N-methyltransferase 1 catalytic subunit 0.0047 0.0347 0.0347
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.0114 0.2249 1
Trypanosoma cruzi 2,4-dienoyl-coa reductase-like protein, putative 0.0036 0.002 0.002
Echinococcus multilocularis sulfide:quinone oxidoreductase 0.0036 0.002 0.002
Leishmania major 2,4-dienoyl-coa reductase-like protein 0.0036 0.002 0.002
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0134 0.2818 0.2803
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0134 0.2818 0.2818
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0134 0.2818 0.2818
Trypanosoma cruzi NADPH:adrenodoxin oxidoreductase, mitochondrial, putative 0.0036 0.002 0.002
Trichomonas vaginalis CMGC family protein kinase 0.0045 0.0277 0.0984
Brugia malayi latrophilin 2 splice variant baaae 0.0039 0.0123 0.0123
Trypanosoma cruzi arginine N-methyltransferase, putative 0.0047 0.0347 0.0347
Schistosoma mansoni sulfide quinone reductase 0.0036 0.002 0.002
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0045 0.0277 0.0277
Echinococcus granulosus thioredoxin glutathione reductase 0.0387 1 1
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.0036 0.002 0.002
Leishmania major hypothetical protein, conserved 0.0036 0.002 0.002
Trypanosoma cruzi trypanothione reductase, putative 0.0134 0.2818 0.2818
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0134 0.2818 0.2818
Loa Loa (eye worm) thioredoxin reductase 0.0387 1 1
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0134 0.2818 1
Entamoeba histolytica cell division protein kinase 2, putative 0.0045 0.0277 0.1233
Brugia malayi serine/threonine protein kinase 6 0.0114 0.2249 0.2249
Entamoeba histolytica arginine N-methyltransferase protein, putative 0.0047 0.0347 0.1541
Echinococcus granulosus sulfide:quinone oxidoreductase 0.0036 0.002 0.002
Trichomonas vaginalis AGC family protein kinase 0.0114 0.2249 0.7982
Brugia malayi cell division control protein 2 homolog 0.0045 0.0277 0.0277
Trypanosoma cruzi arginine N-methyltransferase, putative 0.0047 0.0347 0.0347
Echinococcus granulosus NADPH:adrenodoxin oxidoreductase 0.0036 0.002 0.002
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0036 0.002 0.0071
Trypanosoma cruzi pyridine nucleotide-disulphide oxidoreductase, putative 0.0036 0.002 0.002
Loa Loa (eye worm) AUR protein kinase 0.0114 0.2249 0.2249
Loa Loa (eye worm) RNA binding protein 0.0073 0.1081 0.1081
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0036 0.002 0.0071
Echinococcus multilocularis cyclin dependent kinase 0.0045 0.0277 0.0277
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0036 0.002 0.002
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0045 0.0277 0.0277
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0134 0.2818 0.2818
Entamoeba histolytica hypothetical protein 0.0047 0.0347 0.1541
Schistosoma mansoni disulfide oxidoreductase 0.0036 0.002 0.002
Echinococcus multilocularis pyridine nucleotide disulfide oxidoreductase 0.0036 0.002 0.002
Giardia lamblia Glutamate synthase 0.0036 0.002 0.0071
Schistosoma mansoni hypothetical protein 0.0039 0.0123 0.0123
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0114 0.2249 0.2249
Loa Loa (eye worm) hypothetical protein 0.0057 0.0639 0.0639
Entamoeba histolytica protein kinase, putative 0.0114 0.2249 1
Giardia lamblia Glycerol-3-phosphate dehydrogenase 0.0036 0.002 0.0071
Giardia lamblia Aurora kinase 0.0114 0.2249 0.7982
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0134 0.2818 0.2818
Trypanosoma cruzi NADH dehydrogenase, putative 0.0036 0.002 0.002
Schistosoma mansoni serine/threonine protein kinase 0.0114 0.2249 0.2249
Trypanosoma cruzi cdc2-related kinase 3 0.0045 0.0277 0.0277
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0036 0.002 0.0071
Brugia malayi TAR-binding protein 0.0073 0.1081 0.1081
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0134 0.2818 0.2818
Trichomonas vaginalis AGC family protein kinase 0.0114 0.2249 0.7982
Plasmodium falciparum NAD(P)H-dependent glutamate synthase, putative 0.0036 0.002 0.002
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0045 0.0277 0.0258
Brugia malayi NADPH:adrenodoxin oxidoreductase, mitochondrial precursor 0.0036 0.002 0.002
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0134 0.2818 0.2818
Trypanosoma cruzi cdc2-related kinase 3 0.0045 0.0277 0.0277
Toxoplasma gondii NADPH-glutathione reductase 0.0134 0.2818 0.2803
Loa Loa (eye worm) AUR protein kinase 0.0114 0.2249 0.2249
Giardia lamblia Thioredoxin reductase 0.0036 0.002 0.0071
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0134 0.2818 0.2818
Echinococcus multilocularis glutamate synthase 0.0036 0.002 0.002
Leishmania major 2,4-dienoyl-coa reductase fadh1, putative 0.0036 0.002 0.002
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0134 0.2818 1
Giardia lamblia Kinase, CMGC CDK 0.0045 0.0277 0.0984
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.0036 0.002 0.0071
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0036 0.002 0.0071
Plasmodium falciparum glutathione reductase 0.0134 0.2818 0.2818
Echinococcus granulosus cyclin dependent kinase 1 0.0045 0.0277 0.0277
Entamoeba histolytica protein kinase, putative 0.0114 0.2249 1
Leishmania major hypothetical protein, conserved 0.0036 0.002 0.002
Trypanosoma brucei NADH dehydrogenase 0.0036 0.002 0.002
Echinococcus multilocularis apoptosis inducing factor 1 mitochondrial 0.0036 0.002 0.002
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0134 0.2818 0.2818
Trypanosoma cruzi NADH dehydrogenase, putative 0.0036 0.002 0.002
Plasmodium falciparum glutathione reductase 0.0387 1 1
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0134 0.2818 0.2818
Echinococcus granulosus apoptosis inducing factor 1 mitochondrial 0.0036 0.002 0.002
Schistosoma mansoni serine/threonine protein kinase 0.0045 0.0277 0.0277
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0134 0.2818 0.2803
Loa Loa (eye worm) hypothetical protein 0.0047 0.0347 0.0347
Echinococcus multilocularis aurora kinase A 0.0114 0.2249 0.2249
Entamoeba histolytica disulphide oxidoreductase, putative 0.0036 0.002 0.0089
Loa Loa (eye worm) programmed cell death 8 0.0036 0.002 0.002
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0134 0.2818 0.2818
Plasmodium vivax glutathione reductase, putative 0.0387 1 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0134 0.2818 0.2818
Trichomonas vaginalis glutamate synthase, putative 0.0036 0.002 0.0071
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0134 0.2818 0.2818
Trichomonas vaginalis CMGC family protein kinase 0.0045 0.0277 0.0984
Brugia malayi serine/threonine-protein kinase 6 0.0114 0.2249 0.2249
Echinococcus granulosus tar DNA binding protein 0.0073 0.1081 0.1081
Giardia lamblia NADH oxidase lateral transfer candidate 0.0134 0.2818 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.002 0.002
Schistosoma mansoni hypothetical protein 0.0036 0.002 0.002
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0134 0.2818 0.2803
Echinococcus multilocularis tar DNA binding protein 0.0073 0.1081 0.1081
Loa Loa (eye worm) glutathione reductase 0.0387 1 1
Echinococcus multilocularis cyclin dependent kinase 1 0.0045 0.0277 0.0277
Loa Loa (eye worm) hypothetical protein 0.0039 0.0123 0.0123
Mycobacterium tuberculosis Probable oxidoreductase 0.0134 0.2818 0.2803
Entamoeba histolytica thioredoxin reductase, putative 0.0036 0.002 0.0089
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0134 0.2818 0.2803
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0134 0.2818 1
Trypanosoma brucei pyridine nucleotide-disulphide oxidoreductase, putative 0.0036 0.002 0.002
Entamoeba histolytica NAD(FAD)-dependent dehydrogenase, putative 0.0036 0.002 0.0089
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0036 0.002 0.0071
Schistosoma mansoni serine/threonine protein kinase 0.0045 0.0277 0.0277
Loa Loa (eye worm) AUR protein kinase 0.0114 0.2249 0.2249
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0036 0.002 0.0071
Echinococcus multilocularis cyclin dependent kinase 1 0.0045 0.0277 0.0277
Plasmodium falciparum thioredoxin reductase 0.0134 0.2818 0.2818
Brugia malayi glutamate synthase 0.0036 0.002 0.002
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0134 0.2818 0.2818
Trichomonas vaginalis glutathione reductase, putative 0.0134 0.2818 1
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.0036 0.002 0.002
Leishmania major NADH dehydrogenase, putative 0.0036 0.002 0.002
Entamoeba histolytica cell division protein kinase 2, putative 0.0045 0.0277 0.1233
Trichomonas vaginalis AGC family protein kinase 0.0114 0.2249 0.7982
Loa Loa (eye worm) pyridine nucleotide-disufhide oxidoreductase 0.0036 0.002 0.002
Entamoeba histolytica glutamate synthase beta subunit, putative 0.0036 0.002 0.0089
Schistosoma mansoni glutamate synthase 0.0036 0.002 0.002
Trypanosoma brucei trypanothione reductase 0.0387 1 1
Trypanosoma cruzi cdc2-related kinase 1 0.0045 0.0277 0.0277
Echinococcus granulosus cyclin dependent kinase 0.0045 0.0277 0.0277
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0134 0.2818 1
Trypanosoma brucei cdc2-related kinase 3 0.0045 0.0277 0.0277
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0036 0.002 0.002
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0134 0.2818 0.2818
Schistosoma mansoni tar DNA-binding protein 0.0073 0.1081 0.1081
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.0114 0.2249 1
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0134 0.2818 0.2818
Entamoeba histolytica protein kinase , putative 0.0114 0.2249 1
Plasmodium falciparum ferrodoxin reductase-like protein 0.0036 0.002 0.002
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.0114 0.2249 1
Schistosoma mansoni tar DNA-binding protein 0.0073 0.1081 0.1081
Loa Loa (eye worm) hypothetical protein 0.0043 0.0225 0.0225
Plasmodium falciparum type II NADH:ubiquinone oxidoreductase 0.0036 0.002 0.002
Brugia malayi hypothetical protein 0.0047 0.0347 0.0347
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.002 0.002
Schistosoma mansoni tar DNA-binding protein 0.0073 0.1081 0.1081
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0387 1 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0134 0.2818 1
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0134 0.2818 0.2818
Entamoeba histolytica glutamate synthase beta subunit, putative 0.0036 0.002 0.0089
Trichomonas vaginalis AGC family protein kinase 0.0114 0.2249 0.7982
Plasmodium falciparum protein kinase 5 0.0045 0.0277 0.0277
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.002 0.002
Trichomonas vaginalis glutamate synthase, putative 0.0036 0.002 0.0071
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0134 0.2818 0.2803
Treponema pallidum NADH oxidase 0.0134 0.2818 1
Leishmania major hypothetical protein, conserved 0.0036 0.002 0.002
Schistosoma mansoni glutamate synthase 0.0036 0.002 0.002
Trichomonas vaginalis apoptosis inducing factor, putative 0.0036 0.002 0.0071
Leishmania major protein kinase, putative 0.0114 0.2249 0.2249
Brugia malayi RNA binding protein 0.0073 0.1081 0.1081
Schistosoma mansoni glutamate synthase 0.0036 0.002 0.002
Schistosoma mansoni tar DNA-binding protein 0.0073 0.1081 0.1081
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0036 0.002 0.002
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0134 0.2818 0.2818
Echinococcus granulosus cyclin dependent kinase 5 0.0045 0.0277 0.0277
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0045 0.0277 0.0277
Trichomonas vaginalis dihydrolipoamide dehydrogenase, putative 0.0036 0.002 0.0071
Trichomonas vaginalis CMGC family protein kinase 0.0045 0.0277 0.0984
Trichomonas vaginalis mercuric reductase, putative 0.0134 0.2818 1
Entamoeba histolytica protein kinase domain containing protein 0.0114 0.2249 1
Trypanosoma cruzi cdc2-related kinase 1 0.0045 0.0277 0.0277
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0057 0.0639 0.0639
Toxoplasma gondii thioredoxin reductase 0.0387 1 1
Echinococcus multilocularis cyclin dependent kinase 5 0.0045 0.0277 0.0277
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0036 0.002 0.002
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0134 0.2818 0.2818
Brugia malayi Protein kinase domain containing protein 0.0045 0.0277 0.0277
Echinococcus multilocularis NADPH:adrenodoxin oxidoreductase 0.0036 0.002 0.002
Toxoplasma gondii aurora kinase 0.0114 0.2249 0.2233
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.0036 0.002 0.0089
Schistosoma mansoni sulfide quinone reductase 0.0036 0.002 0.002
Plasmodium falciparum thioredoxin reductase 0.0387 1 1
Trypanosoma cruzi aurora B kinase, putative 0.0114 0.2249 0.2249
Trypanosoma cruzi trypanothione reductase, putative 0.0387 1 1
Entamoeba histolytica pyridine nucleotide-disulfide oxidoreductase family protein 0.0036 0.002 0.0089
Trypanosoma cruzi 2,4-dienoyl-coa reductase fadh1, putative 0.0036 0.002 0.002
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0057 0.0639 0.0639
Trypanosoma brucei NADPH:adrenodoxin oxidoreductase, mitochondrial, putative 0.0036 0.002 0.002
Giardia lamblia Kinase, CMGC CDK 0.0045 0.0277 0.0984
Brugia malayi RNA recognition motif domain containing protein 0.0073 0.1081 0.1081
Trypanosoma brucei cdc2-related kinase 1 0.0045 0.0277 0.0277
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0134 0.2818 1
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0036 0.002 0.0071
Plasmodium vivax thioredoxin reductase, putative 0.0387 1 1
Plasmodium falciparum serine/threonine protein kinase, putative 0.0114 0.2249 0.2249
Plasmodium vivax protein kinase Crk2 0.0045 0.0277 0.0258
Trypanosoma brucei pyridine nucleotide-disulphide oxidoreductase, putative 0.0036 0.002 0.002
Schistosoma mansoni protein kinase 0.0114 0.2249 0.2249
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0045 0.0277 0.0277
Leishmania major trypanothione reductase 0.0387 1 1
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0114 0.2249 0.2249
Echinococcus granulosus glutamate synthase 0.0036 0.002 0.002
Brugia malayi Calcitonin receptor-like protein seb-1 0.0057 0.0639 0.0639
Schistosoma mansoni tar DNA-binding protein 0.0073 0.1081 0.1081
Echinococcus multilocularis thioredoxin glutathione reductase 0.0387 1 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0073 0.1081 0.1081
Trypanosoma brucei 2,4-dienoyl-coa reductase-like protein 0.0036 0.002 0.002
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0134 0.2818 0.2818
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0134 0.2818 0.2803
Trypanosoma cruzi pyridine nucleotide-disulphide oxidoreductase, putative 0.0036 0.002 0.002
Brugia malayi Thioredoxin reductase 0.0387 1 1
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0134 0.2818 0.2818
Loa Loa (eye worm) TAR-binding protein 0.0073 0.1081 0.1081
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0134 0.2818 0.2818
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0134 0.2818 1
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0114 0.2249 0.2233
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0036 0.002 0.0071
Onchocerca volvulus 0.0036 0.002 1
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0045 0.0277 0.0277
Echinococcus granulosus aurora kinase A 0.0114 0.2249 0.2249
Echinococcus granulosus pyridine nucleotide disulfide oxidoreductase 0.0036 0.002 0.002
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.002 0.002
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0045 0.0277 0.0277
Brugia malayi serine/threonine kinase 12 0.0114 0.2249 0.2249

Activities

Activity type Activity value Assay description Source Reference
K 0.5 (binding) = 654 nM Compound was evaluated for the affinity at the cloned radio labelled Muscarinic acetylcholine receptor M3 ChEMBL. 9622555
K 0.5 (binding) = 654 nM Compound was evaluated for the affinity at the cloned radio labelled Muscarinic acetylcholine receptor M3 ChEMBL. 9622555
K 0.5 (binding) = 846 nM Compound was evaluated for the affinity at the cloned radio labelled Muscarinic acetylcholine receptor M1 ChEMBL. 9622555
K 0.5 (binding) = 846 nM Compound was evaluated for the affinity at the cloned radio labelled Muscarinic acetylcholine receptor M1 ChEMBL. 9622555
K 0.5 (binding) = 913 nM Compound was evaluated for the affinity at the cloned radio labelled Muscarinic acetylcholine receptor M4 ChEMBL. 9622555
K 0.5 (binding) = 913 nM Compound was evaluated for the affinity at the cloned radio labelled Muscarinic acetylcholine receptor M4 ChEMBL. 9622555
K 0.5 (binding) = 953 nM Compound was evaluated for the affinity at the cloned radio labelled Muscarinic acetylcholine receptor M2 ChEMBL. 9622555
K 0.5 (binding) = 953 nM Compound was evaluated for the affinity at the cloned radio labelled Muscarinic acetylcholine receptor M2 ChEMBL. 9622555
K 0.5 (binding) = 1100 nM Compound was evaluated for the affinity at the cloned radio labelled Muscarinic acetylcholine receptor M5 ChEMBL. 9622555
K 0.5 (binding) = 1100 nM Compound was evaluated for the affinity at the cloned radio labelled Muscarinic acetylcholine receptor M5 ChEMBL. 9622555
Ki (binding) = 38 nM Affinity at [3H]-8-OH-DPAT-labeled 5-hydroxytryptamine 1A receptor in rat brain homogenate was determined ChEMBL. 9622555
Ki (binding) = 967 nM Affinity at [3H]-ketanserin-labeled 5-hydroxytryptamine 2A receptor in rat brain homogenate was determined ChEMBL. 9622555
Ki (binding) = 967 nM Affinity at [3H]-ketanserin-labeled 5-hydroxytryptamine 2A receptor in rat brain homogenate was determined ChEMBL. 9622555
Ki (binding) = 38 uM Affinity at [3H]-8-OH-DPAT-labeled 5-hydroxytryptamine 1A receptor in rat brain homogenate was determined ChEMBL. 9622555

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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